SCHEMBL8941381

SCHEMBL8941381

CC(C)c1cc(C(C)C)c(OS(=O)(=O)CC(=O)Nc2c(C(C)C)cccc2C(C)C)c(C(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 3/20 0.55
SOAT2 O75908 2/20 0.55
MYC P01106 1/20 0.55
MAP2K3 P46734 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8941392 0.91 SMN1; SMN2 (0.56) SOAT1SOAT2MYCMAP2K3SMN1; SMN2
SCHEMBL8941313 0.83 SMN1; SMN2 (0.47) SOAT1SOAT2MYCMAP2K3SMN1; SMN2
SCHEMBL8941260 0.80 SOAT2 (0.48) SOAT1SOAT2MYCMAP2K3MEN1
SCHEMBL8941282 0.77 SOAT2 (0.46) SOAT1SOAT2MYCMAP2K3
SCHEMBL8941378 0.76 SMN1; SMN2 (0.50) SOAT1SOAT2MYCMAP2K3SMN1; SMN2
SCHEMBL9359202 0.74 NLRP3 (0.56) SMN1; SMN2
SCHEMBL8941187 0.74 TSHR (0.48) SOAT1SOAT2MYCMAP2K3
SCHEMBL7567276 0.74 SOAT2 (0.76) SOAT1SOAT2MYCMAP2K3
SCHEMBL8962535 0.73 SMN1; SMN2 (0.60) SOAT1SOAT2SMN1; SMN2MEN1KMT2A
SCHEMBL9059564 0.73 SOAT2 (0.46) SOAT1SOAT2MYCMAP2K3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5510379-A USEFUL FOR TREATING HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-04-23 US claimed